(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone

C15H21NO2 — CID 62045285

IUPAC(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCCC(C)CC2)c1
InChIInChI=1S/C15H21NO2/c1-11-4-3-8-16(9-7-11)15(18)13-10-12(2)5-6-14(13)17/h5-6,10-11,17H,3-4,7-9H2,1-2H3
InChIKeyVVKPSDDVCVAXLK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds1

About (2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone

(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone (PubChem CID 62045285) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone
PubChem CID62045285
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCCC(C)CC2)c1
InChIInChI=1S/C15H21NO2/c1-11-4-3-8-16(9-7-11)15(18)13-10-12(2)5-6-14(13)17/h5-6,10-11,17H,3-4,7-9H2,1-2H3
InChIKeyVVKPSDDVCVAXLK-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63390640
(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone
CID 62079849
(3-hydroxynaphthalen-2-yl)-(4-methylazepan-1-yl)methanone
CID 62045780
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 133119917
(3-chloropyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63398431
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 79039544
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone (CID 62045285) is (2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone is Cc1ccc(O)c(C(=O)N2CCCC(C)CC2)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone?
The InChIKey is VVKPSDDVCVAXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-3-8-16(9-7-11)15(18)13-10-12(2)5-6-14(13)17/h5-6,10-11,17H,3-4,7-9H2,1-2H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone?
(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 62045285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).